2-[methyl-(4-methylphenyl)sulfonyl-amino]-4-sulfanyl-butanoic acid

Systemtic Name: 2-[methyl-(4-methylphenyl)sulfonyl-amino]-4-sulfanyl-butanoic acid Openeye Name: 2-[methyl(p-tolylsulfonyl)amino]-4-sulfanyl-butanoic acid CAS Name: 4-mercapto-2-[methyl-(4-methylphenyl)sulfonylamino]butanoic acid IUPAC Name: 2-[methyl-(4-methylphenyl)sulfonylamino]-4-sulfanylbutanoic acid Traditional Name: 4-mercapto-2-[methyl(tosyl)amino]butyric acid Formula: C12H17NO4S2 MolecularWeight: 303.39768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C(CCS)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C(CCS)C(=O)O

InChI

InChI=1S/C12H17NO4S2/c1-9-3-5-10(6-4-9)19(16,17)13(2)11(7-8-18)12(14)15/h3-6,11,18H,7-8H2,1-2H3,(H,14,15)